4-[3-(benzyloxy)-4-methoxyphenyl]-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-[3-(benzyloxy)-4-methoxyphenyl]-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-[3-(benzyloxy)-4-methoxyphenyl]-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3448-4316 |
| Compound Name: | 4-[3-(benzyloxy)-4-methoxyphenyl]-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C23 H22 N2 O3 S |
| Smiles: | COc1ccc(cc1OCc1ccccc1)C1CC(NC(=C1C#N)SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7495 |
| logD: | 3.6811 |
| logSw: | -4.0724 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.132 |
| InChI Key: | XPMYDRHISXGCET-GOSISDBHSA-N |